HRID95050

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6558

Isobutylamine

C4H11N

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

结构：CC(C)(C)OC(=O)NC(CC1CCCCC1)C(O)C(=O)O

HCID13882359

未命名化合物

PRODUCTS

生成物

结构：CC(C)CNC(=O)C(O)C(CC1CCCCC1)NC(=O)OC(C)(C)C

HCID178449532

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7b57f30fc2ff4c7599b48862aebfc140
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([CH:10]([C:11](=[O:12])[OH:13])[OH:14])[CH2:15][CH:16]1[CH2:17][CH2:18][CH2:19][CH2:20][CH2:21]1.[CH2:23]([CH:24]([CH3:25])[CH3:26])[NH2:27].[CH3:28][CH2:29][N:30]([CH2:31][CH3:32])[CH2:33][CH3:34].[CH3:50][CH2:51][O:52][C:53](=[O:54])[CH3:55].[CH:35]1([N:36]=[C:37]=[N:38][CH:39]2[CH2:40][CH2:41][CH2:42][CH2:43][CH2:44]2)[CH2:45][CH2:46][CH2:47][CH2:48][CH2:49]1.[ClH:22]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([CH:10]([C:11](=[O:13])[NH:27][CH2:23][CH:24]([CH3:25])[CH3:26])[OH:14])[CH2:15][CH:16]1[CH2:17][CH2:18][CH2:19][CH2:20][CH2:21]1